Terbuthylazine-d9

CAT: 0024-sc-474045Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-474045Size:5 mg

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CAS Number

1346602-52-5

Chemical Information

Terbuthylazine-d9

CAS Number	1346602-52-5
PubChem CID	71752367
IUPAC Name	6-chloro-4-N-ethyl-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
Molecular Formula	C9H16ClN5
Molecular Weight	238.76
XLogP	3.1
Topological Polar Surface Area	62.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	193

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC1=NC(=NC(=N1)NCC)Cl

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)/i2D3,3D3,4D3

InChIKey

FZXISNSWEXTPMF-WVZRYRIDSA-N

Chemical Structure

2D Structure

CAS: 1346602-52-5

CID: 71752367

Formula: C9H16ClN5

MW: 238.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.76
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	238.1659139
Monoisotopic Mass	238.1659139
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	193
Isotope Atom Count	9
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-500655	2-Dechloro-2-hydroxy terbuthylazine sulfate-d9
sc-499410	Desethyl Terbuthylazine
sc-220092	Saquinavir-d9
sc-219513	Oxyphenbutazone-d9
sc-257190A	Bromocyclopentane-d9
sc-477790A	Nadolol-d9
sc-218080	Darunavir-d9
sc-490783	Metofenazate-d9
sc-473025	Salvigenin-d9
sc-477324	Rifamdin-d9

Catalog	Name
CS-T-87176	Terbuthylazine-d9
HY-136445S-01	Terbuthylazine-desethyl-d9
TRC-D289702-10MG	Desethyl Terbuthylazine-d9
TMIJ-0473-01	Terbuthylazine-desethyl-d9 (tert-butyl-d9)
TRC-T110500-1G	Terbuthylazine
417385-01	2-Dechloro-2-Hydroxy Terbuthylazine Sulfate-d9
TRC-D289700-1G	Desethyl Terbuthylazine
TRC-T110503-10MG	Terbuthylazine-13C4
HY-136445-01	Terbuthylazine-desethyl